[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(2R)-pyrrolidin-2-yl]methanone

C14H18N2O — CID 42587064

IUPAC[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
SMILESC[C@H]1Cc2ccccc2N1C(=O)[C@H]1CCCN1
InChIInChI=1S/C14H18N2O/c1-10-9-11-5-2-3-7-13(11)16(10)14(17)12-6-4-8-15-12/h2-3,5,7,10,12,15H,4,6,8-9H2,1H3/t10-,12+/m0/s1
InChIKeyXBSAFBRZYGZLRO-CMPLNLGQSA-N
MW230.31 g/mol
LogP1.72
Rot. Bonds1

About [(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(2R)-pyrrolidin-2-yl]methanone

[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(2R)-pyrrolidin-2-yl]methanone (PubChem CID 42587064) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is [(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(2R)-pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
PubChem CID42587064
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
SMILESC[C@H]1Cc2ccccc2N1C(=O)[C@H]1CCCN1
InChIInChI=1S/C14H18N2O/c1-10-9-11-5-2-3-7-13(11)16(10)14(17)12-6-4-8-15-12/h2-3,5,7,10,12,15H,4,6,8-9H2,1H3/t10-,12+/m0/s1
InChIKeyXBSAFBRZYGZLRO-CMPLNLGQSA-N
XLogP1.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methyl-2,3-dihydroindol-1-yl)-(6-methylpiperidin-2-yl)methanone
CID 24698122
2,3-dihydro-1H-indol-2-yl-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 76892715
(2-methyl-2,3-dihydroindol-1-yl)-[(3R)-piperidin-3-yl]methanone
CID 81123977
1-(2-methyl-2,3-dihydroindol-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119669450
(2S)-1-(azepane-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 64563855
[(1R,2R)-2-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-3-methylidenecyclopropyl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 25358035
(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-piperidin-2-ylmethanone
CID 63522655
(1,1-dioxothian-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 110863894
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(3R)-1-methylpiperidin-3-yl]methanone
CID 96596406
5-(2-methyl-2,3-dihydroindole-1-carbonyl)piperidin-2-one
CID 112728720
3-(2-methyl-2,3-dihydroindole-1-carbonyl)bicyclo[3.3.1]nonan-9-one
CID 42905949
(4-methoxycyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 112532262

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
The IUPAC name of [(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(2R)-pyrrolidin-2-yl]methanone (CID 42587064) is [(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(2R)-pyrrolidin-2-yl]methanone.
What is the SMILES notation for [(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
The canonical SMILES for [(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(2R)-pyrrolidin-2-yl]methanone is C[C@H]1Cc2ccccc2N1C(=O)[C@H]1CCCN1.
What is the InChIKey of [(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
The InChIKey is XBSAFBRZYGZLRO-CMPLNLGQSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10-9-11-5-2-3-7-13(11)16(10)14(17)12-6-4-8-15-12/h2-3,5,7,10,12,15H,4,6,8-9H2,1H3/t10-,12+/m0/s1.
What are the key properties of [(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(2R)-pyrrolidin-2-yl]methanone has a molecular weight of 230.31 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(2R)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 42587064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).